
 SCHEMBL2197188

 48 52  0  0  0  0  0  0  0  0999 V2000
    2.2233    1.2591   -1.6720 C   0  0  0  0  0
    1.4601    1.5361   -0.4068 C   0  0  0  0  0
    2.2835    0.2775   -0.5286 C   0  0  0  0  0
    3.5495    0.1143    0.2585 C   0  0  0  0  0
    3.2871   -0.7775    1.3446 O   0  0  0  0  0
    4.3726   -1.1685    2.0837 C   0  0  0  0  0
    4.3256   -2.4405    2.6738 C   0  0  0  0  0
    5.3867   -2.8844    3.4833 C   0  0  0  0  0
    6.4961   -2.0628    3.7278 C   0  0  0  0  0
    6.5229   -0.7906    3.1400 C   0  0  0  0  0
    5.4741   -0.3454    2.3280 C   0  0  0  0  0
    7.6054   -2.4777    4.5782 C   0  0  0  0  0
    8.6477   -1.7906    4.9869 N   0  0  0  0  0
    9.3367   -2.7057    5.7542 C   0  0  0  0  0
    8.7507   -3.9147    5.8069 N   0  0  0  0  0
    7.6014   -3.7624    5.0357 O   0  0  0  0  0
   10.5916   -2.3858    6.4267 C   0  0  0  0  0
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   10.2489    0.2102    6.4425 C   0  0  0  0  0
   10.9548    1.1798    7.4004 C   0  0  0  0  0
   12.4035    0.6782    7.5159 C   0  0  0  0  0
   12.2023   -0.8024    7.3538 C   0  0  0  0  0
   13.0788   -1.8220    7.6921 C   0  0  0  0  0
   12.7069   -3.1362    7.4189 C   0  0  0  0  0
   11.4783   -3.4145    6.7968 C   0  0  0  0  0
   13.0184    1.0523    8.7803 N   0  0  0  0  0
    3.2108   -3.3168    2.4560 C   0  0  0  0  0
    2.3336   -4.0636    2.2974 N   0  0  0  0  0
    1.6568    0.9754   -2.5524 H   0  0  0  0  0
    3.0952    1.8668   -1.8849 H   0  0  0  0  0
    0.3803    1.4389   -0.4308 H   0  0  0  0  0
    1.8143    2.3362    0.2336 H   0  0  0  0  0
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    9.1813    0.1599    6.6733 H   0  0  0  0  0
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   10.4510    1.1363    8.3773 H   0  0  0  0  0
   10.8975    2.2184    7.0579 H   0  0  0  0  0
   13.0054    1.0511    6.6789 H   0  0  0  0  0
   14.0330   -1.5995    8.1615 H   0  0  0  0  0
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   11.2280   -4.4543    6.5907 H   0  0  0  0  0
   12.4723    0.6560    9.5448 H   0  0  0  0  0
   12.9668    2.0627    8.8936 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
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  4  5  1  0  0  0
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 27 28  3  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2197188

>  <PubChem CID>
58344750

>  <Formula>
C22H20N4O2

>  <Molecular Weight>
372.428000

>  <IUPAC Name>
5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1COC2=C(C=C(C=C2)C3=NC(=NO3)C4=C5CCC(C5=CC=C4)N)C#N

>  <Isomeric SMILES>
C1CC2=C(C=CC=C2[C@@H]1N)C3=NOC(=N3)C4=CC(=C(C=C4)OCC5CC5)C#N

>  <InChI Std. ID>
InChI=1S/C22H20N4O2/c23-11-15-10-14(6-9-20(15)27-12-13-4-5-13)22-25-21(26-28-22)18-3-1-2-17-16(18)7-8-19(17)24/h1-3,6,9-10,13,19H,4-5,7-8,12,24H2/t19-/m1/s1

>  <InChI Key>
AINOYXCGCCTXMC-LJQANCHMSA-N

